============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 27 1.000 -9.105 22.504 18.246 -99.200 -91.000 PHE 29 1.000 -14.577 24.931 22.083 -99.200 -91.000 TYR 32 0.840 -12.006 20.849 14.356 -99.200 -91.000 TRP 33 1.040 -19.660 16.181 16.123 -99.200 -91.000 TRP6 33 1.020 -21.613 16.514 17.408 -99.200 -91.000 HIS 35 0.900 -16.016 12.594 19.639 -99.200 -91.000 TRP 36 1.040 -15.847 15.531 27.479 -99.200 -91.000 TRP6 36 1.020 -14.153 16.037 29.029 -99.200 -91.000 TRP 47 1.040 -18.015 8.576 22.166 -99.200 -91.000 TRP6 47 1.020 -20.312 9.049 21.895 -99.200 -91.000 TYR 60 0.840 -24.998 13.855 27.050 -99.200 -91.000 PHE 64 1.000 -20.525 6.647 30.751 -99.200 -91.000 TYR 80 0.840 -15.263 24.104 31.614 -99.200 -91.000 TYR 93 0.840 -13.961 9.817 33.850 -99.200 -91.000 TYR 94 0.840 -7.269 9.360 27.832 -99.200 -91.000 TYR 102 0.840 -4.149 16.268 16.408 -99.200 -91.000 TRP 103 1.040 -8.502 10.733 21.608 -99.200 -91.000 TRP6 103 1.020 -9.146 8.922 22.922 -99.200 -91.000 TYR 122 0.840 5.234 -3.648 57.706 -99.200 -91.000 TYR 145 0.840 1.096 3.922 49.467 -99.200 -91.000 PHE 146 1.000 -6.672 7.909 49.848 -99.200 -91.000 TRP 154 1.040 15.480 -0.040 46.220 -99.200 -91.000 TRP6 154 1.020 15.425 -1.312 48.199 -99.200 -91.000 HIS 164 0.900 12.321 -6.364 38.244 -99.200 -91.000 PHE 166 1.000 7.360 -6.004 41.336 -99.200 -91.000 TYR 175 0.840 -4.155 3.762 46.358 -99.200 -91.000 TRP 188 1.040 22.329 -6.794 52.292 -99.200 -91.000 TRP6 188 1.020 21.391 -8.855 52.957 -99.200 -91.000 HIS 199 0.900 1.687 9.064 51.875 -99.200 -91.000